HRID1116175

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID887

Methanol

CH4O

HCID61277

Propane, 2-isocyanato-

C4H7NO

结构：Cc1cc(N2CCNCC2)cc2[nH]c(-c3c(NC(CO)Cc4ccccc4)cc[nH]c3=O)nc12

HCID135553332

未命名化合物

PRODUCTS

生成物

结构：Cc1cc(N2CCN(C(=O)NC(C)C)CC2)cc2[nH]c(-c3c(NC(CO)Cc4ccccc4)cc[nH]c3=O)nc12

HCID135553424

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-f2c66fad1cf1491484bd48a538593ff6
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (7/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (7/10)

反应 SMILES

[CH3:41][OH:42].[CH:35]([CH3:36])([CH3:37])[N:38]=[C:39]=[O:40].[OH:1][CH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][c:12]1[c:13](-[c:19]2[n:20][c:21]3[c:22]([nH:23]2)[cH:24][c:25]([N:29]2[CH2:30][CH2:31][NH:32][CH2:33][CH2:34]2)[cH:26][c:27]3[CH3:28])[c:14](=[O:18])[nH:15][cH:16][cH:17]1>>[OH:1][CH2:2][CH:3]([CH2:4][c:5]1[cH:6][cH:7][cH:8][cH:9][cH:10]1)[NH:11][c:12]1[c:13](-[c:19]2[n:20][c:21]3[c:22]([nH:23]2)[cH:24][c:25]([N:29]2[CH2:30][CH2:31][N:32]([C:39]([NH:38][CH:35]([CH3:36])[CH3:37])=[O:40])[CH2:33][CH2:34]2)[cH:26][c:27]3[CH3:28])[c:14](=[O:18])[nH:15][cH:16][cH:17]1